Geometry & MOs

Info

ID:

326452

PubChem CID:

126687586

Reduced:

N2O7C34H54 (1)

Stoich.:

A2B7C34D54 (1)

Weight, g/mol:

602.393102

ΔHf, kcal/mol:

-302.15

Dipole, Da:

3.44

IP(EA), eV:

-9.44(0.5)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(4Z,7Z,10Z,13Z,16Z,19Z)-N-[(2S)-4-methyl-1-oxo-1-[[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]pentan-2-yl]docosa-4,7,10,13,16,19-hexaenamide

Drug info:

PubChemData

Smile

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)N[C@@H](CC(C)C)C(=O)NC1[C@@H](OC([C@H](C1O)O)CO)O

DOS

IR

Vibrations